N-(azepan-1-ylcarbothioyl)-4-tert-butyl-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-tert-butyl-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-tert-butyl-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-tert-butylbenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-tert-butylbenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-tert-butyl-benzamide Formula: C18H26N2OS MolecularWeight: 318.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C18H26N2OS/c1-18(2,3)15-10-8-14(9-11-15)16(21)19-17(22)20-12-6-4-5-7-13-20/h8-11H,4-7,12-13H2,1-3H3,(H,19,21,22)